3-cyclohexyl-3-[[4-(phosphonomethyl)phenyl]methyl-(pyridin-4-ylmethyl)amino]propanoic acid

Systemtic Name: 3-cyclohexyl-3-[[4-(phosphonomethyl)phenyl]methyl-(pyridin-4-ylmethyl)amino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[4-(phosphonomethyl)phenyl]methyl-(4-pyridylmethyl)amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[4-(phosphonomethyl)phenyl]methyl-(pyridin-4-ylmethyl)amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[4-(phosphonomethyl)phenyl]methyl-(pyridin-4-ylmethyl)amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[[4-(phosphonomethyl)benzyl]-(4-pyridylmethyl)amino]propionic acid Formula: C23H31N2O5P MolecularWeight: 446.476401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(=O)O)N(CC2=CC=C(C=C2)CP(=O)(O)O)CC3=CC=NC=C3

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)N(CC2=CC=C(C=C2)CP(=O)(O)O)CC3=CC=NC=C3

InChI

InChI=1S/C23H31N2O5P/c26-23(27)14-22(21-4-2-1-3-5-21)25(16-19-10-12-24-13-11-19)15-18-6-8-20(9-7-18)17-31(28,29)30/h6-13,21-22H,1-5,14-17H2,(H,26,27)(H2,28,29,30)